N-(4-piperidin-1-ylbutyl)pyren-4-amine

C25H28N2 — CID 118721463

IUPACN-(4-piperidin-1-ylbutyl)pyren-4-amine
SMILESc1cc2ccc3cccc4c(NCCCCN5CCCCC5)cc(c1)c2c34
InChIInChI=1S/C25H28N2/c1-3-15-27(16-4-1)17-5-2-14-26-23-18-21-10-6-8-19-12-13-20-9-7-11-22(23)25(20)24(19)21/h6-13,18,26H,1-5,14-17H2
InChIKeyLFQLXJISNYLXLQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.26
Rot. Bonds6

About N-(4-piperidin-1-ylbutyl)pyren-4-amine

N-(4-piperidin-1-ylbutyl)pyren-4-amine (PubChem CID 118721463) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(4-piperidin-1-ylbutyl)pyren-4-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylbutyl)pyren-4-amine
PubChem CID118721463
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-(4-piperidin-1-ylbutyl)pyren-4-amine
SMILESc1cc2ccc3cccc4c(NCCCCN5CCCCC5)cc(c1)c2c34
InChIInChI=1S/C25H28N2/c1-3-15-27(16-4-1)17-5-2-14-26-23-18-21-10-6-8-19-12-13-20-9-7-11-22(23)25(20)24(19)21/h6-13,18,26H,1-5,14-17H2
InChIKeyLFQLXJISNYLXLQ-UHFFFAOYSA-N
XLogP6.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylbutyl)pyren-4-amine?
The IUPAC name of N-(4-piperidin-1-ylbutyl)pyren-4-amine (CID 118721463) is N-(4-piperidin-1-ylbutyl)pyren-4-amine.
What is the SMILES notation for N-(4-piperidin-1-ylbutyl)pyren-4-amine?
The canonical SMILES for N-(4-piperidin-1-ylbutyl)pyren-4-amine is c1cc2ccc3cccc4c(NCCCCN5CCCCC5)cc(c1)c2c34.
What is the InChIKey of N-(4-piperidin-1-ylbutyl)pyren-4-amine?
The InChIKey is LFQLXJISNYLXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-3-15-27(16-4-1)17-5-2-14-26-23-18-21-10-6-8-19-12-13-20-9-7-11-22(23)25(20)24(19)21/h6-13,18,26H,1-5,14-17H2.
What are the key properties of N-(4-piperidin-1-ylbutyl)pyren-4-amine?
N-(4-piperidin-1-ylbutyl)pyren-4-amine has a molecular weight of 356.51 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylbutyl)pyren-4-amine is sourced from PubChem (CID 118721463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).